Single-event microkinetic model for long-chain paraffin hydrocracking and hydroisomerization on an amorphous Pt/SiO2·Al2O3 catalyst / Marios Mitsios in Industrial & engineering chemistry research, Vol. 48 N° 7 (Avril 2009)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 48 N° 7 (Avril 2009) . - pp. 3284–3292 Titre : Single-event microkinetic model for long-chain paraffin hydrocracking and hydroisomerization on an amorphous Pt/SiO2·Al2O3 catalyst Type de document : texte imprimé Auteurs : Marios Mitsios, Auteur ; Denis Guillaume, Auteur ; Pierre Galtier, Auteur Année de publication : 2009 Article en page(s) : pp. 3284–3292 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Single-event microkinetic concept Acid-catalyzed reactions Paraffin hydrocracking Résumé : Hydrocracking of a long-chain paraffin, n-hexadecane, was carried out on an amorphous Pt/SiO2·Al2O3 bifunctional catalyst. Through an isomerization selectivity analysis, it was found that the behavior of the system approaches the ideal hydrocracking conditions. The kinetic modeling of paraffin hydrocracking and hydroisomerization was realized by using the principles of the single-event microkinetic concept. The single-event microkinetic concept has been demonstrated to be efficient in the modeling of acid-catalyzed reactions. A lumped single-event microkinetic model was developed for heavy paraffin hydrocracking in the liquid phase, which considers a group of only nine rate constants for the reactions on the acid phase of the catalyst. The model’s lumping coefficients were calculated by the lateral-chain method, a computer-based approach that does not imply the generation of the whole reaction network. The rate constants were estimated at 340 °C from n-hexadecane hydroisomerization experiments in a plug-flow pilot reactor. The kinetic model was validated (upon extrapolation) by the simulation of two heavier paraffin feeds: a C20−C30 wax mixture and pure squalane. The agreement between the calculated and experimental data was satisfactory. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800974q [article] Single-event microkinetic model for long-chain paraffin hydrocracking and hydroisomerization on an amorphous Pt/SiO2·Al2O3 catalyst [texte imprimé] / Marios Mitsios, Auteur ; Denis Guillaume, Auteur ; Pierre Galtier, Auteur . - 2009 . - pp. 3284–3292. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 7 (Avril 2009) . - pp. 3284–3292 Mots-clés : Single-event microkinetic concept Acid-catalyzed reactions Paraffin hydrocracking Résumé : Hydrocracking of a long-chain paraffin, n-hexadecane, was carried out on an amorphous Pt/SiO2·Al2O3 bifunctional catalyst. Through an isomerization selectivity analysis, it was found that the behavior of the system approaches the ideal hydrocracking conditions. The kinetic modeling of paraffin hydrocracking and hydroisomerization was realized by using the principles of the single-event microkinetic concept. The single-event microkinetic concept has been demonstrated to be efficient in the modeling of acid-catalyzed reactions. A lumped single-event microkinetic model was developed for heavy paraffin hydrocracking in the liquid phase, which considers a group of only nine rate constants for the reactions on the acid phase of the catalyst. The model’s lumping coefficients were calculated by the lateral-chain method, a computer-based approach that does not imply the generation of the whole reaction network. The rate constants were estimated at 340 °C from n-hexadecane hydroisomerization experiments in a plug-flow pilot reactor. The kinetic model was validated (upon extrapolation) by the simulation of two heavier paraffin feeds: a C20−C30 wax mixture and pure squalane. The agreement between the calculated and experimental data was satisfactory. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800974q

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Stochastic simulation and single events kinetic modeling / Javad R. Shahrouzi in Industrial & engineering chemistry research, Vol. 47 N° 13 (Juillet 2008)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 47 N° 13 (Juillet 2008) . - p. 4308–4316 Titre : Stochastic simulation and single events kinetic modeling : application to olefin oligomerization Type de document : texte imprimé Auteurs : Javad R. Shahrouzi, Auteur ; Denis Guillaume, Auteur ; Pierre Rouchon, Auteur ; Patrick Da Costa, Auteur Année de publication : 2008 Article en page(s) : p. 4308–4316 Note générale : Bibliogr. p. 4315-4316 Langues : Anglais (eng) Mots-clés : Stochastic tools  Single event kinetic modeling  Oligomerization network Résumé : In order to handle a tractable network for complex reaction systems such as oligomerization, stochastic tools are applied to reduce the reaction mechanism. The particularity of this work is that quantitative single event kinetic modeling constants are used to generate a network which correctly describes the dynamic behavior of the studied reacting system. By using the stochastic method, which is based on a probabilistic approach, we can avoid the generation of improbable reaction paths in order to reduce the network expansion. Comparison with a classical limited network shows that the proposed network generation technique can be more reliable. Alongside, the stochastic simulation algorithm can be used as a method of simulation instead of the deterministic method because of the huge size of the oligomerization network. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071215l [article] Stochastic simulation and single events kinetic modeling : application to olefin oligomerization [texte imprimé] / Javad R. Shahrouzi, Auteur ; Denis Guillaume, Auteur ; Pierre Rouchon, Auteur ; Patrick Da Costa, Auteur . - 2008 . - p. 4308–4316. Bibliogr. p. 4315-4316 Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 N° 13 (Juillet 2008) . - p. 4308–4316 Mots-clés : Stochastic tools  Single event kinetic modeling  Oligomerization network Résumé : In order to handle a tractable network for complex reaction systems such as oligomerization, stochastic tools are applied to reduce the reaction mechanism. The particularity of this work is that quantitative single event kinetic modeling constants are used to generate a network which correctly describes the dynamic behavior of the studied reacting system. By using the stochastic method, which is based on a probabilistic approach, we can avoid the generation of improbable reaction paths in order to reduce the network expansion. Comparison with a classical limited network shows that the proposed network generation technique can be more reliable. Alongside, the stochastic simulation algorithm can be used as a method of simulation instead of the deterministic method because of the huge size of the oligomerization network. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071215l

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